5-amino-6-ethoxynaphthalene-2-sulfonamide

C12H14N2O3S — CID 154105512

IUPAC5-amino-6-ethoxynaphthalene-2-sulfonamide
SMILESCCOc1ccc2cc(S(N)(=O)=O)ccc2c1N
InChIInChI=1S/C12H14N2O3S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H2,14,15,16)
InChIKeyMZKYZHRDYCZKBW-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.47
Rot. Bonds3

About 5-amino-6-ethoxynaphthalene-2-sulfonamide

5-amino-6-ethoxynaphthalene-2-sulfonamide (PubChem CID 154105512) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-amino-6-ethoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-6-ethoxynaphthalene-2-sulfonamide
PubChem CID154105512
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-amino-6-ethoxynaphthalene-2-sulfonamide
SMILESCCOc1ccc2cc(S(N)(=O)=O)ccc2c1N
InChIInChI=1S/C12H14N2O3S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H2,14,15,16)
InChIKeyMZKYZHRDYCZKBW-UHFFFAOYSA-N
XLogP1.47
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

sodium 5-amino-6-ethoxynaphthalene-2-sulfonate
CID 23690152
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
5-bis(2-ethoxy-6-sulfonaphthalen-1-yl)phosphanyl-6-ethoxynaphthalene-2-sulfonic acid
CID 102442046
4-cyano-3-ethoxybenzenesulfonamide
CID 5021737
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
4-amino-3-(2-ethoxyanilino)benzenesulfonamide
CID 82900046
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethoxynaphthalene-2-sulfonamide?
The IUPAC name of 5-amino-6-ethoxynaphthalene-2-sulfonamide (CID 154105512) is 5-amino-6-ethoxynaphthalene-2-sulfonamide.
What is the SMILES notation for 5-amino-6-ethoxynaphthalene-2-sulfonamide?
The canonical SMILES for 5-amino-6-ethoxynaphthalene-2-sulfonamide is CCOc1ccc2cc(S(N)(=O)=O)ccc2c1N.
What is the InChIKey of 5-amino-6-ethoxynaphthalene-2-sulfonamide?
The InChIKey is MZKYZHRDYCZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13/h3-7H,2,13H2,1H3,(H2,14,15,16).
What are the key properties of 5-amino-6-ethoxynaphthalene-2-sulfonamide?
5-amino-6-ethoxynaphthalene-2-sulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 154105512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).